2-(3,5-dimethyl-4-sulfanyl-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(3,5-dimethyl-4-sulfanyl-phenyl)sulfanylethanoic acid Openeye Name: 2-(3,5-dimethyl-4-sulfanyl-phenyl)sulfanylacetic acid CAS Name: 2-[(4-mercapto-3,5-dimethylphenyl)thio]acetic acid IUPAC Name: 2-(3,5-dimethyl-4-sulfanylphenyl)sulfanylacetic acid Traditional Name: 2-[(4-mercapto-3,5-dimethyl-phenyl)thio]acetic acid Formula: C10H12O2S2 MolecularWeight: 228.33108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S)C)SCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S)C)SCC(=O)O

InChI

InChI=1S/C10H12O2S2/c1-6-3-8(14-5-9(11)12)4-7(2)10(6)13/h3-4,13H,5H2,1-2H3,(H,11,12)